#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfc n LEU 26 N 0.00 0.00 -4.01 1.20 0.00 -1.26 -5.11 117.00 107.82 1sfc n LEU 26 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 1sfc n LEU 26 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.29 1sfc n LEU 26 CO 0.00 0.00 -0.40 0.42 0.00 0.00 0.00 177.39 177.41 1sfc s THR 27 N -1.33 0.44 0.35 1.96 -4.23 -1.26 -5.17 115.64 106.40 1sfc s THR 27 Ca 0.00 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1sfc s THR 27 Cb 0.00 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.37 1sfc s THR 27 CO 0.00 -0.20 0.40 -1.54 -0.54 0.00 0.00 174.62 172.74 1sfc n SER 28 N 2.08 -1.07 -2.11 3.99 3.41 -1.26 -5.03 113.62 113.62 1sfc n SER 28 Ca -0.19 -3.08 -0.24 0.00 -0.26 0.00 0.00 58.87 55.10 1sfc n SER 28 Cb 0.56 2.18 0.04 0.00 -0.26 0.00 0.00 64.21 66.73 1sfc n SER 28 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sfc n ASN 29 N -1.64 6.86 0.08 4.04 3.02 -1.26 -4.63 115.26 121.74 1sfc n ASN 29 Ca 0.04 -3.31 -0.10 0.00 -0.03 0.00 0.00 54.58 51.19 1sfc n ASN 29 Cb 0.61 -1.05 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 1sfc n ASN 29 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1sfc h ARG 30 N 1.82 -0.28 -1.01 3.52 2.43 -1.99 -2.10 114.38 116.78 1sfc h ARG 30 Ca 0.40 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.66 1sfc h ARG 30 Cb 0.83 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.38 1sfc h ARG 30 CO 1.03 0.06 0.65 0.00 -1.51 0.00 0.00 179.97 180.20 1sfc h ARG 31 N -0.95 1.13 -0.85 0.20 3.08 -1.99 0.32 114.38 115.32 1sfc h ARG 31 Ca -0.03 -0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.08 1sfc h ARG 31 Cb 0.47 -0.25 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 1sfc h ARG 31 CO 0.05 0.75 0.55 1.25 -1.07 0.00 0.00 179.97 181.50 1sfc h LEU 32 N 1.16 0.63 -0.66 3.04 5.85 -1.88 1.00 115.31 124.45 1sfc h LEU 32 Ca 0.44 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 59.05 1sfc h LEU 32 Cb 0.20 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1sfc h LEU 32 CO -0.18 0.34 -0.67 1.56 -0.34 0.00 0.00 178.44 179.15 1sfc h GLN 33 N 0.68 0.02 0.26 1.25 4.20 0.28 -0.81 115.11 120.99 1sfc h GLN 33 Ca 0.41 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 1sfc h GLN 33 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1sfc h GLN 33 CO -0.17 0.68 -0.12 1.96 -0.67 0.00 0.00 178.83 180.50 1sfc h GLN 34 N 0.02 -0.33 -0.76 1.46 4.20 0.17 -2.17 115.11 117.69 1sfc h GLN 34 Ca -0.01 0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.90 1sfc h GLN 34 Cb 1.18 0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.91 1sfc h GLN 34 CO 0.09 -0.00 0.05 1.15 -0.67 0.00 0.00 178.83 179.45 1sfc h THR 35 N -0.95 0.36 -0.36 -0.54 2.02 0.71 0.93 112.91 115.08 1sfc h THR 35 Ca -0.04 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.15 1sfc h THR 35 Cb 0.48 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1sfc h THR 35 CO 0.06 0.02 0.25 -0.61 0.37 0.00 0.00 175.52 175.61 1sfc h GLN 36 N 0.13 0.27 0.19 6.66 5.75 -1.12 -0.91 115.11 126.08 1sfc h GLN 36 Ca 0.43 -0.02 -0.31 0.00 -0.15 0.00 0.00 58.65 58.60 1sfc h GLN 36 Cb 0.77 -0.06 0.02 0.00 1.07 0.00 0.00 27.48 29.28 1sfc h GLN 36 CO -0.64 0.18 -1.42 0.00 -2.65 0.00 0.00 178.83 174.30 1sfc h ALA 37 N 1.80 -0.00 -0.33 3.38 0.00 0.15 -3.01 119.26 121.25 1sfc h ALA 37 Ca 0.16 -0.91 -0.15 0.00 0.00 0.00 0.00 54.91 54.01 1sfc h ALA 37 Cb 0.28 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sfc h ALA 37 CO -0.03 0.87 -0.36 -0.56 0.00 0.00 0.00 179.25 179.16 1sfc h GLN 38 N 0.11 0.82 -0.14 0.00 3.07 -0.59 -1.70 115.11 116.68 1sfc h GLN 38 Ca -0.21 -0.45 0.05 0.00 0.09 0.00 0.00 58.65 58.12 1sfc h GLN 38 Cb 2.08 0.02 -0.07 0.00 0.08 0.00 0.00 27.48 29.59 1sfc h GLN 38 CO 0.23 1.08 -0.38 0.28 0.09 0.00 0.00 178.83 180.14 1sfc h VAL 39 N 0.60 0.20 -0.07 1.86 2.07 -1.27 0.66 116.25 120.30 1sfc h VAL 39 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1sfc h VAL 39 Cb 0.95 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1sfc h VAL 39 CO 0.09 0.00 0.13 0.44 0.02 0.00 0.00 177.57 178.24 1sfc h ASP 40 N -0.45 0.00 0.33 0.57 3.32 -1.40 0.72 116.42 119.52 1sfc h ASP 40 Ca 0.09 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1sfc h ASP 40 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1sfc h ASP 40 CO -0.38 0.00 -0.16 -0.08 -1.72 0.00 0.00 179.24 176.90 1sfc h GLU 41 N 0.00 -0.43 -0.83 3.56 4.81 0.11 -2.23 114.58 119.57 1sfc h GLU 41 Ca 0.03 0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.51 1sfc h GLU 41 Cb 0.28 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1sfc h GLU 41 CO -0.00 -0.15 0.57 0.28 -0.73 0.00 0.00 179.01 178.98 1sfc h VAL 42 N -1.02 0.65 -0.56 0.32 2.07 0.58 1.53 116.25 119.81 1sfc h VAL 42 Ca -0.05 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1sfc h VAL 42 Cb 0.48 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1sfc h VAL 42 CO 0.08 0.03 0.14 0.58 0.02 0.00 0.00 177.57 178.42 1sfc h VAL 43 N 0.19 1.23 -0.17 2.57 2.07 -0.78 0.37 116.25 121.72 1sfc h VAL 43 Ca 0.41 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1sfc h VAL 43 Cb 1.33 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1sfc h VAL 43 CO -0.08 0.31 -0.27 0.44 0.02 0.00 0.00 177.57 177.99 1sfc h ASP 44 N 0.83 0.54 -0.15 0.57 3.32 0.27 -1.65 116.42 120.15 1sfc h ASP 44 Ca 0.18 -0.52 0.04 0.00 0.02 0.00 0.00 57.03 56.74 1sfc h ASP 44 Cb 0.30 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1sfc h ASP 44 CO -0.00 0.96 -0.07 0.40 -1.72 0.00 0.00 179.24 178.81 1sfc h ILE 45 N 0.13 0.78 0.00 0.35 2.04 -0.69 -0.89 117.51 119.23 1sfc h ILE 45 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1sfc h ILE 45 Cb 0.84 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1sfc h ILE 45 CO 0.06 0.00 -0.05 0.24 0.00 0.00 0.00 178.15 178.40 1sfc h MET 46 N -0.05 0.00 -0.01 2.37 2.86 -0.89 0.12 114.93 119.34 1sfc h MET 46 Ca 0.08 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.51 1sfc h MET 46 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1sfc h MET 46 CO -0.19 0.05 -0.90 0.00 1.06 0.00 0.00 176.91 176.93 1sfc h ARG 47 N 0.00 0.41 -0.21 1.72 3.08 -0.19 -1.40 114.38 117.79 1sfc h ARG 47 Ca -0.00 -0.42 -0.16 0.00 0.07 0.00 0.00 59.98 59.47 1sfc h ARG 47 Cb 0.18 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1sfc h ARG 47 CO 0.01 1.08 -0.54 0.28 -1.07 0.00 0.00 179.97 179.73 1sfc h VAL 48 N 0.24 1.31 -0.79 2.04 2.07 -0.31 -2.43 116.25 118.39 1sfc h VAL 48 Ca -0.07 -1.77 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 1sfc h VAL 48 Cb 1.53 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 1sfc h VAL 48 CO 0.16 0.56 0.38 0.78 0.02 0.00 0.00 177.57 179.46 1sfc h ASN 49 N 0.47 1.02 -0.15 0.57 2.35 -0.70 -1.56 115.58 117.59 1sfc h ASN 49 Ca 0.01 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1sfc h ASN 49 Cb 1.09 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 1sfc h ASN 49 CO 0.11 0.86 0.05 0.58 -1.65 0.00 0.00 177.43 177.38 1sfc h VAL 50 N 1.12 0.96 -0.99 2.81 2.07 -0.87 0.33 116.25 121.68 1sfc h VAL 50 Ca 0.27 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.80 1sfc h VAL 50 Cb 0.11 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1sfc h VAL 50 CO -0.03 0.02 0.64 0.44 0.02 0.00 0.00 177.57 178.66 1sfc h ASP 51 N 0.12 1.04 -0.26 0.57 3.32 -1.01 -0.82 116.42 119.39 1sfc h ASP 51 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1sfc h ASP 51 Cb 0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1sfc h ASP 51 CO -0.07 0.68 0.03 0.11 -1.72 0.00 0.00 179.24 178.27 1sfc h LYS 52 N 1.19 0.44 -0.12 3.56 1.57 -0.26 -0.14 116.57 122.82 1sfc h LYS 52 Ca 0.42 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1sfc h LYS 52 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1sfc h LYS 52 CO -0.15 0.58 -0.11 -0.24 -0.57 0.00 0.00 179.45 178.96 1sfc h VAL 53 N 0.25 1.15 -0.05 0.50 3.04 0.10 0.36 116.25 121.59 1sfc h VAL 53 Ca 0.08 -0.66 -0.19 0.00 -1.01 0.00 0.00 66.70 64.93 1sfc h VAL 53 Cb 0.36 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.82 1sfc h VAL 53 CO 0.01 0.20 -0.77 -0.07 -1.01 0.00 0.00 177.57 175.93 1sfc h LEU 54 N 0.17 0.44 -1.19 3.16 3.38 -0.89 0.79 115.31 121.17 1sfc h LEU 54 Ca 0.04 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1sfc h LEU 54 Cb 0.31 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1sfc h LEU 54 CO 0.02 1.05 -0.33 -0.08 0.09 0.00 0.00 178.44 179.18 1sfc h GLU 55 N 0.24 0.12 -0.09 1.13 4.81 0.37 -0.08 114.58 121.08 1sfc h GLU 55 Ca -0.04 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 58.93 1sfc h GLU 55 Cb 1.35 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.74 1sfc h GLU 55 CO 0.13 0.45 -0.80 -0.09 -0.73 0.00 0.00 179.01 177.96 1sfc h ARG 56 N 0.11 0.69 -0.62 1.92 2.43 0.32 -1.98 114.38 117.25 1sfc h ARG 56 Ca 0.01 -0.63 -0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1sfc h ARG 56 Cb 0.65 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1sfc h ARG 56 CO 0.05 1.24 0.37 0.22 -1.51 0.00 0.00 179.97 180.33 1sfc h ASP 57 N 0.37 0.73 -0.15 -3.80 1.82 0.11 0.29 116.42 115.80 1sfc h ASP 57 Ca -0.08 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.49 1sfc h ASP 57 Cb 1.45 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 41.27 1sfc h ASP 57 CO 0.16 0.57 -0.04 -0.61 -1.61 0.00 0.00 179.24 177.71 1sfc h GLN 58 N 0.85 0.29 -0.10 0.28 4.15 -0.89 -2.40 115.11 117.29 1sfc h GLN 58 Ca 0.22 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1sfc h GLN 58 Cb -0.03 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1sfc h GLN 58 CO -0.04 0.58 0.03 0.87 -1.93 0.00 0.00 178.83 178.34 1sfc h LYS 59 N -0.01 0.16 -0.95 1.69 1.57 -0.78 -2.50 116.57 115.75 1sfc h LYS 59 Ca 0.04 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 1sfc h LYS 59 Cb 0.48 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.68 1sfc h LYS 59 CO 0.02 0.34 0.57 -0.07 -0.57 0.00 0.00 179.45 179.73 1sfc h LEU 60 N -0.04 0.78 -0.73 2.94 3.38 -0.49 0.45 115.31 121.60 1sfc h LEU 60 Ca 0.03 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1sfc h LEU 60 Cb 0.25 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1sfc h LEU 60 CO 0.00 0.38 0.47 -1.28 0.09 0.00 0.00 178.44 178.10 1sfc h SER 61 N 0.85 0.80 -0.01 -0.43 0.87 -1.16 0.49 113.55 114.95 1sfc h SER 61 Ca 0.49 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.90 1sfc h SER 61 Cb 0.58 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1sfc h SER 61 CO -0.30 0.57 -0.43 -0.33 -0.53 0.00 0.00 176.83 175.81 1sfc h GLU 62 N 0.95 0.54 -0.44 2.24 5.08 -0.58 -0.96 114.58 121.40 1sfc h GLU 62 Ca 0.28 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1sfc h GLU 62 Cb -0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1sfc h GLU 62 CO -0.08 0.87 -0.23 1.25 -1.00 0.00 0.00 179.01 179.81 1sfc h LEU 63 N 0.44 0.94 -0.44 1.33 5.85 -0.39 0.52 115.31 123.56 1sfc h LEU 63 Ca 0.03 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.47 1sfc h LEU 63 Cb 0.93 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1sfc h LEU 63 CO 0.08 1.12 0.08 -0.78 -0.34 0.00 0.00 178.44 178.61 1sfc h ASP 64 N 0.79 -0.00 0.03 1.25 3.58 0.40 1.10 116.42 123.57 1sfc h ASP 64 Ca 0.10 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1sfc h ASP 64 Cb 0.79 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1sfc h ASP 64 CO 0.07 0.03 -0.02 0.44 -2.88 0.00 0.00 179.24 176.88 1sfc h ASP 65 N 0.22 -0.04 0.53 2.28 3.32 -0.55 0.13 116.42 122.31 1sfc h ASP 65 Ca 0.21 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1sfc h ASP 65 Cb 0.27 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1sfc h ASP 65 CO -0.28 0.22 -0.02 0.03 -1.72 0.00 0.00 179.24 177.46 1sfc h ARG 66 N -0.29 0.00 0.02 3.56 3.08 0.68 0.19 114.38 121.61 1sfc h ARG 66 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1sfc h ARG 66 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1sfc h ARG 66 CO 0.01 0.02 -1.45 0.00 -1.07 0.00 0.00 179.97 177.48 1sfc h ALA 67 N 1.98 0.56 -0.22 0.04 0.00 0.15 -2.63 119.26 119.14 1sfc h ALA 67 Ca -0.00 -1.23 -0.21 0.00 0.00 0.00 0.00 54.91 53.47 1sfc h ALA 67 Cb 0.29 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1sfc h ALA 67 CO 0.00 1.41 -0.67 0.22 0.00 0.00 0.00 179.25 180.22 1sfc h ASP 68 N 0.01 0.95 -0.02 0.00 3.58 0.71 -2.03 116.42 119.63 1sfc h ASP 68 Ca -0.19 -0.57 -0.18 0.00 0.42 0.00 0.00 57.03 56.52 1sfc h ASP 68 Cb 1.93 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 42.70 1sfc h ASP 68 CO 0.11 1.37 -0.61 0.00 -2.88 0.00 0.00 179.24 177.23 1sfc h ALA 69 N 0.63 0.59 -0.44 -0.78 0.00 -0.80 -2.48 119.26 115.98 1sfc h ALA 69 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1sfc h ALA 69 Cb 1.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1sfc h ALA 69 CO 0.14 0.70 0.29 1.25 0.00 0.00 0.00 179.25 181.63 1sfc h LEU 70 N 0.46 0.50 -0.25 0.00 5.85 -1.41 0.23 115.31 120.70 1sfc h LEU 70 Ca -0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1sfc h LEU 70 Cb 1.18 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1sfc h LEU 70 CO 0.12 0.36 0.14 -0.61 -0.34 0.00 0.00 178.44 178.11 1sfc h GLN 71 N 0.59 0.34 -0.35 1.25 -0.00 -1.29 0.10 115.11 115.75 1sfc h GLN 71 Ca 0.16 -0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.81 1sfc h GLN 71 Cb -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.31 1sfc h GLN 71 CO -0.04 0.29 0.15 0.00 0.00 0.00 0.00 178.83 179.24 1sfc h ALA 72 N 1.03 0.43 -0.38 3.38 0.00 -1.03 0.37 119.26 123.06 1sfc h ALA 72 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sfc h ALA 72 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1sfc h ALA 72 CO -0.02 -0.23 0.17 0.78 0.00 0.00 0.00 179.25 179.96 1sfc h GLY 73 N 0.32 0.59 1.73 0.00 0.00 -0.14 -1.72 103.07 103.85 1sfc h GLY 73 Ca 0.15 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 1sfc h GLY 73 CO -0.13 0.29 -0.36 0.00 0.00 0.00 0.00 176.54 176.33 1sfc h ALA 74 N 1.02 1.11 -0.93 3.60 0.00 -0.51 -1.91 119.26 121.65 1sfc h ALA 74 Ca 0.13 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1sfc h ALA 74 Cb 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1sfc h ALA 74 CO -0.01 0.57 0.61 1.03 0.00 0.00 0.00 179.25 181.45 1sfc h SER 75 N 0.26 1.06 -0.22 0.00 0.87 0.16 0.40 113.55 116.08 1sfc h SER 75 Ca 0.03 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1sfc h SER 75 Cb 0.77 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1sfc h SER 75 CO 0.06 0.76 -0.35 -0.61 -0.53 0.00 0.00 176.83 176.16 1sfc h GLN 76 N 1.24 0.62 -0.03 2.24 4.15 -0.89 -2.56 115.11 119.88 1sfc h GLN 76 Ca 0.34 -0.37 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 1sfc h GLN 76 Cb -0.13 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1sfc h GLN 76 CO -0.08 0.99 -0.23 0.35 -1.93 0.00 0.00 178.83 177.93 1sfc h PHE 77 N 0.31 0.05 -0.52 3.99 3.57 -0.82 -0.18 116.94 123.35 1sfc h PHE 77 Ca 0.02 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1sfc h PHE 77 Cb 0.93 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1sfc h PHE 77 CO 0.08 0.28 0.20 1.49 -2.23 0.00 0.00 178.31 178.14 1sfc h GLU 78 N 0.04 0.78 0.39 1.11 4.22 -0.81 0.16 114.58 120.46 1sfc h GLU 78 Ca 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 59.36 59.28 1sfc h GLU 78 Cb 0.44 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1sfc h GLU 78 CO 0.03 0.69 -0.19 1.15 -2.18 0.00 0.00 179.01 178.51 1sfc h THR 79 N 0.70 0.61 -0.49 0.32 2.02 -0.89 -0.23 112.91 114.96 1sfc h THR 79 Ca 0.17 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 67.14 1sfc h THR 79 Cb 0.20 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1sfc h THR 79 CO -0.01 0.06 0.08 0.28 0.37 0.00 0.00 175.52 176.29 1sfc h SER 80 N -0.69 -0.04 -0.86 4.18 0.02 -0.93 -1.18 113.55 114.06 1sfc h SER 80 Ca -0.05 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1sfc h SER 80 Cb 0.49 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 1sfc h SER 80 CO 0.09 0.01 0.54 0.00 -1.14 0.00 0.00 176.83 176.33 1sfc h ALA 81 N 1.39 1.15 0.41 3.77 0.00 -0.54 0.28 119.26 125.72 1sfc h ALA 81 Ca 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1sfc h ALA 81 Cb 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sfc h ALA 81 CO -0.33 0.35 -0.20 0.00 0.00 0.00 0.00 179.25 179.07 1sfc h ALA 82 N 1.37 -0.55 -0.56 0.00 0.00 -0.03 -0.81 119.26 118.69 1sfc h ALA 82 Ca 0.35 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1sfc h ALA 82 Cb 0.07 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1sfc h ALA 82 CO -0.14 -0.72 0.34 0.87 0.00 0.00 0.00 179.25 179.60 1sfc h LYS 83 N -0.73 0.65 -0.64 0.00 1.79 -1.05 -0.74 116.57 115.85 1sfc h LYS 83 Ca -0.06 -0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.49 1sfc h LYS 83 Cb 0.52 -0.15 -0.08 0.00 -1.58 0.00 0.00 32.23 30.93 1sfc h LYS 83 CO 0.09 0.43 0.20 1.25 -1.08 0.00 0.00 179.45 180.34 1sfc h LEU 84 N 0.67 0.13 -0.73 2.94 5.85 -0.32 0.17 115.31 124.02 1sfc h LEU 84 Ca 0.22 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 1sfc h LEU 84 Cb 0.01 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1sfc h LEU 84 CO -0.09 0.07 0.11 0.50 -0.34 0.00 0.00 178.44 178.68 1sfc h LYS 85 N 0.34 1.07 -0.06 1.25 3.64 -0.36 -2.80 116.57 119.65 1sfc h LYS 85 Ca 0.34 -0.28 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1sfc h LYS 85 Cb 0.48 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1sfc h LYS 85 CO -0.38 0.98 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.41 1sfc h ARG 86 N 1.01 0.11 0.36 1.90 2.43 0.45 -1.06 114.38 119.57 1sfc h ARG 86 Ca 0.20 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1sfc h ARG 86 Cb 0.43 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1sfc h ARG 86 CO 0.01 0.39 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.47 1sfc h LYS 87 N 0.10 -0.46 0.00 0.20 3.64 -0.49 -2.68 116.57 116.88 1sfc h LYS 87 Ca 0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1sfc h LYS 87 Cb 0.56 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1sfc h LYS 87 CO 0.04 -0.31 0.00 1.88 -2.27 0.00 0.00 179.45 178.79 1sfc h TYR 88 N -0.51 0.00 -0.03 1.91 -1.99 -1.54 0.33 116.97 115.15 1sfc h TYR 88 Ca -0.05 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 1sfc h TYR 88 Cb 0.37 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 1sfc h TYR 88 CO 0.13 0.00 -0.03 2.35 -0.00 0.00 0.00 178.16 180.61 1sfc h TRP 89 N 0.00 0.09 0.00 4.88 7.01 -1.09 -2.84 115.95 124.00 1sfc h TRP 89 Ca 0.00 -0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.83 1sfc h TRP 89 Cb 0.22 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1sfc h TRP 89 CO 0.00 0.56 -0.74 -1.49 -2.79 0.00 0.00 178.44 173.99 1sfc h TRP 90 N -0.41 0.00 -0.34 2.65 4.06 -1.11 -2.92 115.95 117.89 1sfc h TRP 90 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1sfc h TRP 90 Cb 0.55 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.69 1sfc h TRP 90 CO 0.10 0.62 0.22 -0.22 -3.56 0.00 0.00 178.44 175.60 1sfc h LYS 91 N 0.00 0.45 -0.00 0.49 3.64 -0.38 0.38 116.57 121.15 1sfc h LYS 91 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1sfc h LYS 91 Cb 1.50 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1sfc h LYS 91 CO 0.08 0.31 -0.16 -1.71 -2.27 0.00 0.00 179.45 175.69 1sfc n ASN 92 N -4.48 0.25 0.00 4.20 2.85 -1.07 -5.06 115.26 111.95 1sfc n ASN 92 Ca 0.02 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1sfc n ASN 92 Cb 0.07 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 40.91 1sfc n ASN 92 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33